2-(bromomethyl)-2-chloro-1H-quinoline

C10H9BrClN — CID 69025724

IUPAC2-(bromomethyl)-2-chloro-1H-quinoline
SMILESClC1(CBr)C=Cc2ccccc2N1
InChIInChI=1S/C10H9BrClN/c11-7-10(12)6-5-8-3-1-2-4-9(8)13-10/h1-6,13H,7H2
InChIKeyPJHOMNUVKMJVBL-UHFFFAOYSA-N
MW258.55 g/mol
LogP3.46
Rot. Bonds1

About 2-(bromomethyl)-2-chloro-1H-quinoline

2-(bromomethyl)-2-chloro-1H-quinoline (PubChem CID 69025724) has the molecular formula C10H9BrClN and a molecular weight of 258.55 g/mol. Its IUPAC name is 2-(bromomethyl)-2-chloro-1H-quinoline.

Molecular Properties

Compound Name2-(bromomethyl)-2-chloro-1H-quinoline
PubChem CID69025724
Molecular FormulaC10H9BrClN
Molecular Weight258.55 g/mol
Exact Mass256.96
IUPAC Name2-(bromomethyl)-2-chloro-1H-quinoline
SMILESClC1(CBr)C=Cc2ccccc2N1
InChIInChI=1S/C10H9BrClN/c11-7-10(12)6-5-8-3-1-2-4-9(8)13-10/h1-6,13H,7H2
InChIKeyPJHOMNUVKMJVBL-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-chloro-1H-quinoline?
The IUPAC name of 2-(bromomethyl)-2-chloro-1H-quinoline (CID 69025724) is 2-(bromomethyl)-2-chloro-1H-quinoline.
What is the SMILES notation for 2-(bromomethyl)-2-chloro-1H-quinoline?
The canonical SMILES for 2-(bromomethyl)-2-chloro-1H-quinoline is ClC1(CBr)C=Cc2ccccc2N1.
What is the InChIKey of 2-(bromomethyl)-2-chloro-1H-quinoline?
The InChIKey is PJHOMNUVKMJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN/c11-7-10(12)6-5-8-3-1-2-4-9(8)13-10/h1-6,13H,7H2.
What are the key properties of 2-(bromomethyl)-2-chloro-1H-quinoline?
2-(bromomethyl)-2-chloro-1H-quinoline has a molecular weight of 258.55 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-chloro-1H-quinoline is sourced from PubChem (CID 69025724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).